SCHEMBL19081009

SCHEMBL19081009

CC1(C)c2ccccc2-c2cc3c(oc4c5ccccc5ccc34)c(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccccc45)c4ccccc34)c21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.33
ABCG2 Q9UNQ0 5/20 0.32
ABCB1 P08183 4/20 0.32
ABCC1 P33527 4/20 0.32
PRKDC P78527 1/20 0.32
PGR P06401 2/20 0.31
HCRTR1 O43613 1/20 0.31
CYP1A1 P04798 2/20 0.31
CYP1B1 Q16678 2/20 0.31
KMT2A Q03164 1/20 0.31
DUSP3 P51452 1/20 0.30
CYP1A2 P05177 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19080985 0.90 ALOX5 (0.34) ALOX5ABCG2ABCB1ABCC1PRKDC
SCHEMBL19080703 0.90 CYP1A1 (0.40) ABCG2ABCB1ABCC1PRKDCCYP1A1
SCHEMBL19091559 0.86
SCHEMBL19080923 0.85 CYP1A1 (0.37) ABCG2ABCB1ABCC1PRKDCCYP1A1
SCHEMBL19081007 0.85 ABCG2 (0.35) ALOX5ABCG2ABCB1ABCC1PRKDC
SCHEMBL17944864 0.85 HCRTR1 (0.34) ALOX5PRKDCPGRHCRTR1KMT2A
SCHEMBL17945020 0.84 AHR (0.36) ALOX5PRKDCPGRHCRTR1KMT2A
SCHEMBL17945354 0.84 ALOX5 (0.34) ALOX5PRKDCPGR
SCHEMBL19081364 0.83 CYP1A1 (0.31) PGRHCRTR1CYP1A1CYP1B1CYP1A2
SCHEMBL17945138 0.83 ALOX5 (0.36) ALOX5PRKDCPGRCYP1A1CYP1B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170194572-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-06 US disclosed
US-20170194572-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170194572-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 ALOX5 1939/4885ABCG2 4823/4885ABCB1 3875/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.